General Information of the Compound
| Compound ID |
CP0845808
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| Compound Name |
N-(2,6-difluorophenyl)-5-{3-[2-({5-fluoro-2-(methyloxy)-4-[2-(1-piperidinyl)ethyl]phenyl}-amino)-4-pyrimidinyl]imidazo[1,2-a]pyridin-2-yl}-2-(methyloxy)benzamide
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| Structure |
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| Formula |
C39H36F3N7O3
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| Molecular Weight |
707.757
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| Canonical SMILES |
COc1cc(CCN2CCCCC2)c(F)cc1Nc1nccc(-c2c(-c3ccc(OC)c(C(=O)Nc4c(F)cccc4F)c3)nc3ccccn23)n1
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| InChI |
InChI=1S/C39H36F3N7O3/c1-51-32-13-12-25(21-26(32)38(50)47-36-27(40)9-8-10-28(36)41)35-37(49-19-7-4-11-34(49)46-35)30-14-16-43-39(44-30)45-31-23-29(42)24(22-33(31)52-2)15-20-48-17-5-3-6-18-48/h4,7-14,16,19,21-23H,3,5-6,15,17-18,20H2,1-2H3,(H,47,50)(H,43,44,45)
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| InChIKey |
UMXBGUZULWRTOF-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01101, Insulin receptor
Protein ID: PT01104, Insulin-like growth factor 1 receptor